Geometry & MOs

Info

ID:	47288
PubChem CID:	10531244
Reduced:	N2O4C15H16 (2)
Stoich.:	A2B4C15D16 (2)
Weight, g/mol:	576.093675
ΔH_f, kcal/mol:	-267.13
Dipole, Da:	4.63
IP(EA), eV:	-9.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3S,4S)-3-(7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-4-methylcyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)OC1=CC=C(C=C1)N/C(=N/C(=O)OCC2=CC=CC=C2)/NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations